1-cyclopropyl-4-(2,4,6-trimethylphenyl)butan-1-ol

C16H24O — CID 64515133

IUPAC1-cyclopropyl-4-(2,4,6-trimethylphenyl)butan-1-ol
SMILESCc1cc(C)c(CCCC(O)C2CC2)c(C)c1
InChIInChI=1S/C16H24O/c1-11-9-12(2)15(13(3)10-11)5-4-6-16(17)14-7-8-14/h9-10,14,16-17H,4-8H2,1-3H3
InChIKeyWXWPBZGPLBSRDD-UHFFFAOYSA-N
MW232.37 g/mol
LogP3.71
Rot. Bonds5

About 1-cyclopropyl-4-(2,4,6-trimethylphenyl)butan-1-ol

1-cyclopropyl-4-(2,4,6-trimethylphenyl)butan-1-ol (PubChem CID 64515133) has the molecular formula C16H24O and a molecular weight of 232.37 g/mol. Its IUPAC name is 1-cyclopropyl-4-(2,4,6-trimethylphenyl)butan-1-ol.

Molecular Properties

Compound Name1-cyclopropyl-4-(2,4,6-trimethylphenyl)butan-1-ol
PubChem CID64515133
Molecular FormulaC16H24O
Molecular Weight232.37 g/mol
Exact Mass232.18
IUPAC Name1-cyclopropyl-4-(2,4,6-trimethylphenyl)butan-1-ol
SMILESCc1cc(C)c(CCCC(O)C2CC2)c(C)c1
InChIInChI=1S/C16H24O/c1-11-9-12(2)15(13(3)10-11)5-4-6-16(17)14-7-8-14/h9-10,14,16-17H,4-8H2,1-3H3
InChIKeyWXWPBZGPLBSRDD-UHFFFAOYSA-N
XLogP3.71
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-cyclopropyl-4-(3,4-dimethylphenyl)butan-1-ol
CID 64515372
1-cyclopropyl-3-(2,4,6-trimethylphenyl)propan-1-amine
CID 63354845
1-cyclopropyl-3-(2,4,5-trimethylphenyl)propan-1-ol
CID 64990273
1-cyclopropyl-1-methoxy-3-(2,4,6-trimethylphenyl)propan-2-ol
CID 116712644
1-cyclopropyl-4-(4-methyl-1,3-thiazol-5-yl)butan-1-ol
CID 79436563
1-cyclopropylpentan-1-ol
CID 551238
1-(2,4,6-trimethylphenyl)heptan-4-amine
CID 64502731
1-cyclopropyl-3-(2-fluoro-4,6-dimethylphenyl)propan-1-amine
CID 106882484
2-butyl-1,3,5-trimethylbenzene
CID 527298
1-cyclopropyl-4-(1-methylpyrazol-3-yl)butan-1-ol
CID 82870522
1-[3-(2,4,6-trimethylphenyl)propyl]piperidin-4-ol
CID 82485339
1-cyclopropylheptan-1-ol
CID 10909821

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-4-(2,4,6-trimethylphenyl)butan-1-ol?
The IUPAC name of 1-cyclopropyl-4-(2,4,6-trimethylphenyl)butan-1-ol (CID 64515133) is 1-cyclopropyl-4-(2,4,6-trimethylphenyl)butan-1-ol.
What is the SMILES notation for 1-cyclopropyl-4-(2,4,6-trimethylphenyl)butan-1-ol?
The canonical SMILES for 1-cyclopropyl-4-(2,4,6-trimethylphenyl)butan-1-ol is Cc1cc(C)c(CCCC(O)C2CC2)c(C)c1.
What is the InChIKey of 1-cyclopropyl-4-(2,4,6-trimethylphenyl)butan-1-ol?
The InChIKey is WXWPBZGPLBSRDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O/c1-11-9-12(2)15(13(3)10-11)5-4-6-16(17)14-7-8-14/h9-10,14,16-17H,4-8H2,1-3H3.
What are the key properties of 1-cyclopropyl-4-(2,4,6-trimethylphenyl)butan-1-ol?
1-cyclopropyl-4-(2,4,6-trimethylphenyl)butan-1-ol has a molecular weight of 232.37 g/mol, XLogP of 3.71, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-4-(2,4,6-trimethylphenyl)butan-1-ol is sourced from PubChem (CID 64515133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).